BindingDB logo
myBDB logout

Patent code US8546451

Compile Data Set for Download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))
BDBM102984
PNG
(US8546451, II)
Show SMILES CCCc1ccc(cc1)C(=O)N(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C22H21NO3/c1-2-3-16-4-6-17(7-5-16)22(26)23(18-8-12-20(24)13-9-18)19-10-14-21(25)15-11-19/h4-15,24-25H,2-3H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.75n/an/an/an/an/an/an/an/a



GTx, Inc.

US Patent


Assay Description
The ER binding affinity of the compounds was determined using an in vitro competitive radioligand binding assay was [2,4,6,7-3H(N)]-Estradiol ([3H]E2...


US Patent US8546451 (2013)


BindingDB Entry DOI: 10.7270/Q2XW4HFH
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM102985
PNG
(US8546451, III)
Show SMILES Cc1cccc(CN(c2ccc(O)cc2)c2ccc(O)cc2)c1C
Show InChI InChI=1S/C21H21NO2/c1-15-4-3-5-17(16(15)2)14-22(18-6-10-20(23)11-7-18)19-8-12-21(24)13-9-19/h3-13,23-24H,14H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.81n/an/an/an/an/an/an/an/a



GTx, Inc.

US Patent


Assay Description
The ER binding affinity of the compounds was determined using an in vitro competitive radioligand binding assay was [2,4,6,7-3H(N)]-Estradiol ([3H]E2...


US Patent US8546451 (2013)


BindingDB Entry DOI: 10.7270/Q2XW4HFH
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM102989
PNG
(US8546451, VII)
Show SMILES Oc1ccc(cc1)N(C(=O)c1ccc(O)c(F)c1)c1ccc(O)cc1
Show InChI InChI=1S/C19H14FNO4/c20-17-11-12(1-10-18(17)24)19(25)21(13-2-6-15(22)7-3-13)14-4-8-16(23)9-5-14/h1-11,22-24H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
6.06n/an/an/an/an/an/an/an/a



GTx, Inc.

US Patent


Assay Description
The ER binding affinity of the compounds was determined using an in vitro competitive radioligand binding assay was [2,4,6,7-3H(N)]-Estradiol ([3H]E2...


US Patent US8546451 (2013)


BindingDB Entry DOI: 10.7270/Q2XW4HFH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM102985
PNG
(US8546451, III)
Show SMILES Cc1cccc(CN(c2ccc(O)cc2)c2ccc(O)cc2)c1C
Show InChI InChI=1S/C21H21NO2/c1-15-4-3-5-17(16(15)2)14-22(18-6-10-20(23)11-7-18)19-8-12-21(24)13-9-19/h3-13,23-24H,14H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
6.44n/an/an/an/an/an/an/an/a



GTx, Inc.

US Patent


Assay Description
The ER binding affinity of the compounds was determined using an in vitro competitive radioligand binding assay was [2,4,6,7-3H(N)]-Estradiol ([3H]E2...


US Patent US8546451 (2013)


BindingDB Entry DOI: 10.7270/Q2XW4HFH
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM102987
PNG
(US8546451, V)
Show SMILES Cc1cccc(C(=O)N(c2ccc(O)cc2)c2ccc(O)cc2)c1C
Show InChI InChI=1S/C21H19NO3/c1-14-4-3-5-20(15(14)2)21(25)22(16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h3-13,23-24H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
7.13n/an/an/an/an/an/an/an/a



GTx, Inc.

US Patent


Assay Description
The ER binding affinity of the compounds was determined using an in vitro competitive radioligand binding assay was [2,4,6,7-3H(N)]-Estradiol ([3H]E2...


US Patent US8546451 (2013)


BindingDB Entry DOI: 10.7270/Q2XW4HFH
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM102988
PNG
(US8546451, VI)
Show SMILES Oc1ccc(cc1)N(C(=O)c1ccc2ccccc2c1)c1ccc(O)cc1
Show InChI InChI=1S/C23H17NO3/c25-21-11-7-19(8-12-21)24(20-9-13-22(26)14-10-20)23(27)18-6-5-16-3-1-2-4-17(16)15-18/h1-15,25-26H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
9n/an/an/an/an/an/an/an/a



GTx, Inc.

US Patent


Assay Description
The ER binding affinity of the compounds was determined using an in vitro competitive radioligand binding assay was [2,4,6,7-3H(N)]-Estradiol ([3H]E2...


US Patent US8546451 (2013)


BindingDB Entry DOI: 10.7270/Q2XW4HFH
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM102990
PNG
(US8546451, VIII)
Show SMILES Oc1ccc(CN(c2ccc(O)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H16FNO2/c20-15-3-5-16(6-4-15)21(17-7-11-19(23)12-8-17)13-14-1-9-18(22)10-2-14/h1-12,22-23H,13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
13n/an/an/an/an/an/an/an/a



GTx, Inc.

US Patent


Assay Description
The ER binding affinity of the compounds was determined using an in vitro competitive radioligand binding assay was [2,4,6,7-3H(N)]-Estradiol ([3H]E2...


US Patent US8546451 (2013)


BindingDB Entry DOI: 10.7270/Q2XW4HFH
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM102991
PNG
(US8546451, IX (or X))
Show SMILES Oc1ccc(cc1)N(C(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C27H26F4N2O3/c28-19-4-13-24(25(18-19)27(29,30)31)26(35)33(20-5-9-22(34)10-6-20)21-7-11-23(12-8-21)36-17-16-32-14-2-1-3-15-32/h4-13,18,34H,1-3,14-17H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
14.8n/an/an/an/an/an/an/an/a



GTx, Inc.

US Patent


Assay Description
The ER binding affinity of the compounds was determined using an in vitro competitive radioligand binding assay was [2,4,6,7-3H(N)]-Estradiol ([3H]E2...


US Patent US8546451 (2013)


BindingDB Entry DOI: 10.7270/Q2XW4HFH
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM102992
PNG
(US8546451, XI)
Show SMILES Oc1ccc(cc1)N(C(=O)c1ccc(O)c(F)c1)c1ccccc1
Show InChI InChI=1S/C19H14FNO3/c20-17-12-13(6-11-18(17)23)19(24)21(14-4-2-1-3-5-14)15-7-9-16(22)10-8-15/h1-12,22-23H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
15n/an/an/an/an/an/an/an/a



GTx, Inc.

US Patent


Assay Description
The ER binding affinity of the compounds was determined using an in vitro competitive radioligand binding assay was [2,4,6,7-3H(N)]-Estradiol ([3H]E2...


US Patent US8546451 (2013)


BindingDB Entry DOI: 10.7270/Q2XW4HFH
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM102993
PNG
(US8546451, XII)
Show SMILES Cc1c(F)cccc1C(=O)N(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C20H16FNO3/c1-13-18(3-2-4-19(13)21)20(25)22(14-5-9-16(23)10-6-14)15-7-11-17(24)12-8-15/h2-12,23-24H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
15.1n/an/an/an/an/an/an/an/a



GTx, Inc.

US Patent


Assay Description
The ER binding affinity of the compounds was determined using an in vitro competitive radioligand binding assay was [2,4,6,7-3H(N)]-Estradiol ([3H]E2...


US Patent US8546451 (2013)


BindingDB Entry DOI: 10.7270/Q2XW4HFH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM102986
PNG
(US8546451, IV)
Show SMILES Oc1ccc(cc1)N(C(=O)c1ccc(O)c(F)c1)c1ccc(F)cc1
Show InChI InChI=1S/C19H13F2NO3/c20-13-2-4-14(5-3-13)22(15-6-8-16(23)9-7-15)19(25)12-1-10-18(24)17(21)11-12/h1-11,23-24H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
15.2n/an/an/an/an/an/an/an/a



GTx, Inc.

US Patent


Assay Description
The ER binding affinity of the compounds was determined using an in vitro competitive radioligand binding assay was [2,4,6,7-3H(N)]-Estradiol ([3H]E2...


US Patent US8546451 (2013)


BindingDB Entry DOI: 10.7270/Q2XW4HFH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM102990
PNG
(US8546451, VIII)
Show SMILES Oc1ccc(CN(c2ccc(O)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H16FNO2/c20-15-3-5-16(6-4-15)21(17-7-11-19(23)12-8-17)13-14-1-9-18(22)10-2-14/h1-12,22-23H,13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
19n/an/an/an/an/an/an/an/a



GTx, Inc.

US Patent


Assay Description
The ER binding affinity of the compounds was determined using an in vitro competitive radioligand binding assay was [2,4,6,7-3H(N)]-Estradiol ([3H]E2...


US Patent US8546451 (2013)


BindingDB Entry DOI: 10.7270/Q2XW4HFH
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM102986
PNG
(US8546451, IV)
Show SMILES Oc1ccc(cc1)N(C(=O)c1ccc(O)c(F)c1)c1ccc(F)cc1
Show InChI InChI=1S/C19H13F2NO3/c20-13-2-4-14(5-3-13)22(15-6-8-16(23)9-7-15)19(25)12-1-10-18(24)17(21)11-12/h1-11,23-24H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
21.7n/an/an/an/an/an/an/an/a



GTx, Inc.

US Patent


Assay Description
The ER binding affinity of the compounds was determined using an in vitro competitive radioligand binding assay was [2,4,6,7-3H(N)]-Estradiol ([3H]E2...


US Patent US8546451 (2013)


BindingDB Entry DOI: 10.7270/Q2XW4HFH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM102993
PNG
(US8546451, XII)
Show SMILES Cc1c(F)cccc1C(=O)N(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C20H16FNO3/c1-13-18(3-2-4-19(13)21)20(25)22(14-5-9-16(23)10-6-14)15-7-11-17(24)12-8-15/h2-12,23-24H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
25.0n/an/an/an/an/an/an/an/a



GTx, Inc.

US Patent


Assay Description
The ER binding affinity of the compounds was determined using an in vitro competitive radioligand binding assay was [2,4,6,7-3H(N)]-Estradiol ([3H]E2...


US Patent US8546451 (2013)


BindingDB Entry DOI: 10.7270/Q2XW4HFH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM102987
PNG
(US8546451, V)
Show SMILES Cc1cccc(C(=O)N(c2ccc(O)cc2)c2ccc(O)cc2)c1C
Show InChI InChI=1S/C21H19NO3/c1-14-4-3-5-20(15(14)2)21(25)22(16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h3-13,23-24H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
35.9n/an/an/an/an/an/an/an/a



GTx, Inc.

US Patent


Assay Description
The ER binding affinity of the compounds was determined using an in vitro competitive radioligand binding assay was [2,4,6,7-3H(N)]-Estradiol ([3H]E2...


US Patent US8546451 (2013)


BindingDB Entry DOI: 10.7270/Q2XW4HFH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM102992
PNG
(US8546451, XI)
Show SMILES Oc1ccc(cc1)N(C(=O)c1ccc(O)c(F)c1)c1ccccc1
Show InChI InChI=1S/C19H14FNO3/c20-17-12-13(6-11-18(17)23)19(24)21(14-4-2-1-3-5-14)15-7-9-16(22)10-8-15/h1-12,22-23H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
57n/an/an/an/an/an/an/an/a



GTx, Inc.

US Patent


Assay Description
The ER binding affinity of the compounds was determined using an in vitro competitive radioligand binding assay was [2,4,6,7-3H(N)]-Estradiol ([3H]E2...


US Patent US8546451 (2013)


BindingDB Entry DOI: 10.7270/Q2XW4HFH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM102988
PNG
(US8546451, VI)
Show SMILES Oc1ccc(cc1)N(C(=O)c1ccc2ccccc2c1)c1ccc(O)cc1
Show InChI InChI=1S/C23H17NO3/c25-21-11-7-19(8-12-21)24(20-9-13-22(26)14-10-20)23(27)18-6-5-16-3-1-2-4-17(16)15-18/h1-15,25-26H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
72n/an/an/an/an/an/an/an/a



GTx, Inc.

US Patent


Assay Description
The ER binding affinity of the compounds was determined using an in vitro competitive radioligand binding assay was [2,4,6,7-3H(N)]-Estradiol ([3H]E2...


US Patent US8546451 (2013)


BindingDB Entry DOI: 10.7270/Q2XW4HFH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM102989
PNG
(US8546451, VII)
Show SMILES Oc1ccc(cc1)N(C(=O)c1ccc(O)c(F)c1)c1ccc(O)cc1
Show InChI InChI=1S/C19H14FNO4/c20-17-11-12(1-10-18(17)24)19(25)21(13-2-6-15(22)7-3-13)14-4-8-16(23)9-5-14/h1-11,22-24H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
76.9n/an/an/an/an/an/an/an/a



GTx, Inc.

US Patent


Assay Description
The ER binding affinity of the compounds was determined using an in vitro competitive radioligand binding assay was [2,4,6,7-3H(N)]-Estradiol ([3H]E2...


US Patent US8546451 (2013)


BindingDB Entry DOI: 10.7270/Q2XW4HFH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM102984
PNG
(US8546451, II)
Show SMILES CCCc1ccc(cc1)C(=O)N(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C22H21NO3/c1-2-3-16-4-6-17(7-5-16)22(26)23(18-8-12-20(24)13-9-18)19-10-14-21(25)15-11-19/h4-15,24-25H,2-3H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
81.6n/an/an/an/an/an/an/an/a



GTx, Inc.

US Patent


Assay Description
The ER binding affinity of the compounds was determined using an in vitro competitive radioligand binding assay was [2,4,6,7-3H(N)]-Estradiol ([3H]E2...


US Patent US8546451 (2013)


BindingDB Entry DOI: 10.7270/Q2XW4HFH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM102991
PNG
(US8546451, IX (or X))
Show SMILES Oc1ccc(cc1)N(C(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C27H26F4N2O3/c28-19-4-13-24(25(18-19)27(29,30)31)26(35)33(20-5-9-22(34)10-6-20)21-7-11-23(12-8-21)36-17-16-32-14-2-1-3-15-32/h4-13,18,34H,1-3,14-17H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
646n/an/an/an/an/an/an/an/a



GTx, Inc.

US Patent


Assay Description
The ER binding affinity of the compounds was determined using an in vitro competitive radioligand binding assay was [2,4,6,7-3H(N)]-Estradiol ([3H]E2...


US Patent US8546451 (2013)


BindingDB Entry DOI: 10.7270/Q2XW4HFH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%